8015-2146 Screening compound: 3-{[(3,4-dichlorophenyl)carbamothioyl]amino}-1-(pyridin-3-yl)thiourea

8015-2146 Screening compound: 3-{[(3,4-dichlorophenyl)carbamothioyl]amino}-1-(pyridin-3-yl)thiourea
8015-2146 Screening compound: 3-{[(3,4-dichlorophenyl)carbamothioyl]amino}-1-(pyridin-3-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2146
3-{[(3,4-dichlorophenyl)carbamothioyl]amino}-1-(pyridin-3-yl)thiourea

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8015-2146

Molecular Formula

C13H11Cl2N5S2 (C13 H11 Cl2 N5 S2)

Compound Name

3-{[(3,4-dichlorophenyl)carbamothioyl]amino}-1-(pyridin-3-yl)thiourea

IUPAC name

3-(34-dichlorophenyl)-1-{[(pyridin-3-yl)carbamothioyl]amino}thiourea

SMILES

S=C(Nc(cc1)cc(Cl)c1Cl)NNC(Nc1cnccc1)=S

InChI

InChI=1S/C13H11Cl2N5S2/c14-10-4-3-8(6-11(10)15)17-12(21)19-20-13(22)18-9-2-1-5-16-7-9/h1-7H,(H2,17,19,21)(H2,18,20,22)

InChI Key

DOIXCLYEOMYTAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03856038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.681

Distribution Coefficient, logD

3.674

Water Solubility, LogSw

-3.96

Polar Surface Area

52.415

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8015-2146 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-2146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2146?
Check Price and Availability of 8015-2146, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8015-2146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2146
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8015-2146 available by request